Basic information
- CAS
126-39-6- Standard SMILES
CCC1(C)OCCO1- InChIKey
UPZFLZYXYGBAPL-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 2-Ethyl-2-methyl-1,3-dioxolane
- IUPAC
- 2-ethyl-2-methyl-1,3-dioxolane
- English name
- 2-ETHYL-2-METHYL-1,3-DIOXOLANE
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
2-Ethyl-2-methyl-1,3-dioxolane2-Methyl-2-ethyl-1,3-dioxolaneEthyleneacetic acid1,3-DIOXOLANE, 2-ETHYL-2-METHYL-NSC 829UNII-Y488VJJ1FVEINECS 204-785-2Y488VJJ1FVBRN 0102815AI3-25310NSC-829DTXSID7059565
Show more names
Ethyleneacetic acid.2-Methyl-2-ethyldioxolane2-Ethyl-2-methyldioxolane2-BUTANONE ETHYLENE ACETAL2-ethyl-2-methyl-3-dioxolane(1,3-Dioxolan-2-yl)acetonitrile2-BUTANONE CYCLIC ETHYLENE ACETAL
UPZFLZYXYGBAPL-UHFFFAOYSA-2-BUTANONE ETHYLENE KETAL5-19-01-00083 (Beilstein Handbook Reference)RefChem:86871DTXCID1033876InChI=1/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3UPZFLZYXYGBAPL-UHFFFAOYSA-N126-39-6
Database identifiers
- CAS
126-39-6- PubChem CID
- 61067
- DTXSID
DTXSID7059565- UNII
- Y488VJJ1FV
- EC Number
- 204-785-2
- Nikkaji
- J42.130H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
Kovats Retention Index766；779；768
Physicochemical properties
- Melting point
- -81.9 °C · -81.9°C
- Boiling point
- 116 · 116-117 °C (lit.)
- Density
- 0.929 g/mL · 0.929 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.409(lit.)
- Flash point
- 55 °F · 55 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform (Soluble), Methanol (Slightly)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Stability
- Moisture sensitive
- LogP
- 0.973 · 0.973 (est)
- CAS DataBase Reference
- 126 · 126-39-6(CAS DataBase Reference)
- FDA UNII
- 488 VJJ1FV · Y488VJJ1FV
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane, 2-ethyl-2-methyl-
Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21083
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (97.7%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (93%)；STOT SE 3 (97.7%)
Regulatory information
Regulatory Information
Chemical: 1,3-Dioxolane, 2-ethyl-2-methyl-
Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21083
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolane, 2-ethyl-2-methyl-: ACTIVE
Applications
UsesSolvent.
Uses2-Ethyl-2-methyl-1,3-dioxolane was employed as reagent in the selective ketalization of 1-oxo functions of 8a-methyl 1,6-dioxo 1,2,3,4,6,7,8,8a-octahydronaphthalene and 7a-methyl 1,5-dioxo 5,6,7,7a-tetrahydroindane. It was also employed in the enantioselective total synthesis of (-)-strychnine.
Upstream & downstream products
Downstream products
Suppliers63 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
5 records
Compound notes
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